ethyl 1-cyclopropyl-7-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methoxy-phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methoxy-phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methoxy-phenyl]-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methoxyphenyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methoxyphenyl]-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methoxy-phenyl]-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C28H30FNO6 MolecularWeight: 495.539303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C3=C(C=CC(=C3)C4OCC(CO4)(C)C)OC)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C3=C(C=CC(=C3)C4OCC(CO4)(C)C)OC)C5CC5

InChI

InChI=1S/C28H30FNO6/c1-5-34-26(32)21-13-30(17-7-8-17)23-12-18(22(29)11-20(23)25(21)31)19-10-16(6-9-24(19)33-4)27-35-14-28(2,3)15-36-27/h6,9-13,17,27H,5,7-8,14-15H2,1-4H3